SCHEMBL3550135

SCHEMBL3550135

Fc1ccc(Sc2ccc(Cl)cc2Cl)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ITGB2 P05107 6/20 0.50
ICAM1 P05362 6/20 0.50
ITGAL P20701 6/20 0.50
RHEB Q15382 2/20 0.41
PLA2G1B P04054 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE7A Q13946 3/20 0.40
PDE7B Q9NP56 2/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3543373 0.91 ATM (0.43) ATMKDM4EL3MBTL1ITGB2ICAM1
SCHEMBL3541807 0.86 ATM (0.40) ATMKDM4EL3MBTL1ITGB2ICAM1
SCHEMBL3547722 0.83 ATM (0.42) ATMKDM4EL3MBTL1ITGB2ICAM1
SCHEMBL3538161 0.83 PDE7A (0.47) ATMKDM4EL3MBTL1RHEBPLA2G1B
SCHEMBL3541411 0.81 MEN1 (0.47) ATMKDM4EL3MBTL1RHEBNPSR1
SCHEMBL3546438 0.80 HTR1A (0.43) ATMKDM4EL3MBTL1NPSR1PDE7A
SCHEMBL28941715 0.79 ATM (0.50) ATMKDM4EL3MBTL1ITGB2ICAM1
SCHEMBL3165346 0.79 ITGB2 (0.72) ATMKDM4EL3MBTL1ITGB2ICAM1
SCHEMBL3546700 0.79 PDE7A (0.60) ITGB2ICAM1ITGALRHEBPDE7A
Hydrochloric Acid SCHEMBL7604738 0.78 ITGB2 (0.77) ATMKDM4EL3MBTL1ITGB2ICAM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 ATM 3209/4885KDM4E 1091/4885L3MBTL1 4197/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.